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deepmodeling / dpdata

A Python package for manipulating atomistic data of software in computational science
https://docs.deepmodeling.com/projects/dpdata/
GNU Lesser General Public License v3.0
195 stars 129 forks source link

fix a bug when reading the key block of STRU #591

Closed pxlxingliang closed 9 months ago

codecov[bot] commented 9 months ago

Codecov Report

Attention: 11 lines in your changes are missing coverage. Please review.

Comparison is base (e948661) 82.88% compared to head (8e13d7d) 82.87%. Report is 1 commits behind head on devel.

Files Patch % Lines
dpdata/openmx/omx.py 92.75% 10 Missing :warning:
dpdata/abacus/scf.py 95.23% 1 Missing :warning:
Additional details and impacted files ```diff @@ Coverage Diff @@ ## devel #591 +/- ## ========================================== - Coverage 82.88% 82.87% -0.02% ========================================== Files 74 76 +2 Lines 6608 6784 +176 ========================================== + Hits 5477 5622 +145 - Misses 1131 1162 +31 ```

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